SIMILAR PATTERNS OF AMINO ACIDS FOR 3WIP_D_ACHD301

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ae7 PHOSPHOLIPASE A2

(Notechis
scutatus) 		PF00068
(Phospholip_A2_1) 		4 TRP A  20
THR A  19
TYR A 111
TYR A  22
 None
 1.21A 3wipD-1ae7A:
undetectable
3wipE-1ae7A:
undetectable		 3wipD-1ae7A:
16.50
3wipE-1ae7A:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 TYR A 420
THR A 429
TYR A 112
TYR A 115
 None
 1.16A 3wipD-1b2hA:
0.0
3wipE-1b2hA:
0.0		 3wipD-1b2hA:
16.28
3wipE-1b2hA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jnp T-CELL
LEUKEMIA/LYMPHOMA
PROTEIN 1A

(Mus musculus) 		PF01840
(TCL1_MTCP1) 		4 TYR A  26
TRP A  74
TYR A  68
ARG A  83
 None
 1.46A 3wipD-1jnpA:
0.0
3wipE-1jnpA:
undetectable		 3wipD-1jnpA:
20.76
3wipE-1jnpA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A) 		PF09220
(LA-virus_coat) 		4 TYR A 485
TRP A 510
THR A 546
ARG A 517
 None
 1.15A 3wipD-1m1cA:
0.0
3wipE-1m1cA:
0.0		 3wipD-1m1cA:
15.97
3wipE-1m1cA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tz7 4-ALPHA-GLUCANOTRANS
FERASE

(Aquifex
aeolicus) 		PF02446
(Glyco_hydro_77) 		4 TYR A  58
THR A 383
TRP A 459
MET A 449
 None
 1.48A 3wipD-1tz7A:
undetectable
3wipE-1tz7A:
undetectable		 3wipD-1tz7A:
17.00
3wipE-1tz7A:
17.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tz7 4-ALPHA-GLUCANOTRANS
FERASE

(Aquifex
aeolicus) 		PF02446
(Glyco_hydro_77) 		4 TYR A 210
TYR A 294
TRP A 251
ARG A 308
 None
 1.44A 3wipD-1tz7A:
undetectable
3wipE-1tz7A:
undetectable		 3wipD-1tz7A:
17.00
3wipE-1tz7A:
17.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yvl SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
PF02865
(STAT_int) 		4 TYR A 651
THR A 615
TYR A 634
ARG A 602
 None
 1.22A 3wipD-1yvlA:
0.6
3wipE-1yvlA:
0.0		 3wipD-1yvlA:
13.60
3wipE-1yvlA:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		4 TYR A 261
THR A 326
TYR A 636
TYR A 633
 None
 1.50A 3wipD-2a3lA:
undetectable
3wipE-2a3lA:
undetectable		 3wipD-2a3lA:
14.63
3wipE-2a3lA:
14.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bj0 ACETYLCHOLINE-BINDIN
G PROTEIN

(Bulinus
truncatus) 		PF02931
(Neur_chan_LBD) 		5 TYR A  88
TRP A 142
THR A 143
TYR A 184
TYR A 191
 None
CXS  A1204 (-3.6A)
CXS  A1204 ( 4.7A)
CXS  A1204 (-4.6A)
CXS  A1204 (-4.7A)
 0.70A 3wipD-2bj0A:
25.2
3wipE-2bj0A:
25.1		 3wipD-2bj0A:
40.44
3wipE-2bj0A:
40.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ddt SPHINGOMYELIN
PHOSPHODIESTERASE

(Bacillus cereus) 		PF03372
(Exo_endo_phos) 		4 TYR A 242
THR A 282
TYR A 290
TRP A  28
 MES  A 313 (-4.0A)
None
MES  A 313 (-4.6A)
MES  A 313 (-3.5A)
 1.45A 3wipD-2ddtA:
undetectable
3wipE-2ddtA:
0.0		 3wipD-2ddtA:
21.97
3wipE-2ddtA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dr1 386AA LONG
HYPOTHETICAL SERINE
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00266
(Aminotran_5) 		4 TYR A 238
THR A 257
TYR A 244
TRP A 237
 None
 1.34A 3wipD-2dr1A:
undetectable
3wipE-2dr1A:
undetectable		 3wipD-2dr1A:
19.17
3wipE-2dr1A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 TYR A 241
THR A 221
TRP A 138
MET A 208
 None
 1.37A 3wipD-2eaeA:
undetectable
3wipE-2eaeA:
undetectable		 3wipD-2eaeA:
13.04
3wipE-2eaeA:
13.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f8t ARGONAUTE PROTEIN

(Aquifex
aeolicus) 		PF02171
(Piwi) 		4 TYR A 704
THR A 686
TYR A 531
TRP A 705
 None
 1.33A 3wipD-2f8tA:
undetectable
3wipE-2f8tA:
undetectable		 3wipD-2f8tA:
15.66
3wipE-2f8tA:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		4 TYR A  59
THR A 390
TYR A 322
TRP A 294
 None
 1.41A 3wipD-2g28A:
undetectable
3wipE-2g28A:
undetectable		 3wipD-2g28A:
13.96
3wipE-2g28A:
13.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 TYR A 441
TRP A 477
TYR A 457
MET A 474
 None
 1.19A 3wipD-2hk5A:
undetectable
3wipE-2hk5A:
undetectable		 3wipD-2hk5A:
22.85
3wipE-2hk5A:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i53 CYCLIN K

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		4 THR A  45
TYR A  82
ARG A  48
MET A 265
 None
None
ACT  A 301 (-2.9A)
None
 1.47A 3wipD-2i53A:
undetectable
3wipE-2i53A:
undetectable		 3wipD-2i53A:
18.52
3wipE-2i53A:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT
TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri;
Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS)
PF02332
(Phenol_Hydrox) 		4 TYR B  37
TRP B  46
THR A 182
ARG A 183
 None
 1.36A 3wipD-2incB:
undetectable
3wipE-2incB:
undetectable		 3wipD-2incB:
19.65
3wipE-2incB:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o7t TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF00440
(TetR_N) 		4 TYR A 149
TRP A  85
THR A  86
TYR A 179
 None
 1.38A 3wipD-2o7tA:
undetectable
3wipE-2o7tA:
undetectable		 3wipD-2o7tA:
22.58
3wipE-2o7tA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r2p EPHRIN TYPE-A
RECEPTOR 5

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		4 TYR A 879
TRP A 869
TYR A 895
TRP A 880
 None
 1.42A 3wipD-2r2pA:
undetectable
3wipE-2r2pA:
undetectable		 3wipD-2r2pA:
21.31
3wipE-2r2pA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpt LIPOLYTIC ENZYME

(Ruminiclostridium
thermocellum) 		PF13472
(Lipase_GDSL_2) 		4 TYR A 159
THR A  46
TYR A 214
ARG A  58
 None
 1.44A 3wipD-2vptA:
undetectable
3wipE-2vptA:
undetectable		 3wipD-2vptA:
21.40
3wipE-2vptA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wqs AGGLUTININ RECEPTOR

(Streptococcus
gordonii) 		PF16364
(Antigen_C) 		4 TYR A1230
THR A1218
TYR A1105
ARG A1142
 None
 1.31A 3wipD-2wqsA:
undetectable
3wipE-2wqsA:
undetectable		 3wipD-2wqsA:
20.75
3wipE-2wqsA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dko EPHRIN TYPE-A
RECEPTOR 7

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		4 TYR A 837
TRP A 827
TYR A 853
TRP A 838
 None
 1.47A 3wipD-3dkoA:
undetectable
3wipE-3dkoA:
undetectable		 3wipD-3dkoA:
21.54
3wipE-3dkoA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f4a UNCHARACTERIZED
PROTEIN YGR203W

(Saccharomyces
cerevisiae) 		PF00581
(Rhodanese) 		4 TRP A  20
THR A  27
TRP A 119
ARG A  30
 SO4  A 152 (-4.2A)
SO4  A 152 (-4.2A)
None
None
 1.48A 3wipD-3f4aA:
undetectable
3wipE-3f4aA:
undetectable		 3wipD-3f4aA:
22.27
3wipE-3f4aA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 TYR A 766
TYR A 768
TYR A 568
MET A 541
 None
 1.48A 3wipD-3fahA:
undetectable
3wipE-3fahA:
undetectable		 3wipD-3fahA:
13.41
3wipE-3fahA:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fw6 CELLULASE

(uncultured
bacterium) 		PF12891
(Glyco_hydro_44) 		4 TYR A  81
THR A 112
TYR A  73
TRP A 197
 None
 1.49A 3wipD-3fw6A:
undetectable
3wipE-3fw6A:
undetectable		 3wipD-3fw6A:
17.78
3wipE-3fw6A:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v8d CHOLESTEROL
7-ALPHA-MONOOXYGENAS
E

(Homo sapiens) 		PF00067
(p450) 		4 TYR A 401
THR A 422
TYR A 412
TYR A 433
 None
 1.39A 3wipD-3v8dA:
undetectable
3wipE-3v8dA:
undetectable		 3wipD-3v8dA:
17.98
3wipE-3v8dA:
17.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdh ACETYLCHOLINE
BINDING PROTEIN

(Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		5 TYR A  89
TRP A 143
THR A 144
TYR A 185
TYR A 192
 None
XRS  A 301 (-3.6A)
XRS  A 301 ( 4.4A)
XRS  A 301 ( 4.1A)
XRS  A 301 (-3.8A)
 0.45A 3wipD-3zdhA:
32.4
3wipE-3zdhA:
32.6		 3wipD-3zdhA:
100.00
3wipE-3zdhA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a4l SERINE/THREONINE-PRO
TEIN KINASE PLK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 THR A 243
TYR A 268
TYR A 242
TRP A 235
 None
 1.24A 3wipD-4a4lA:
undetectable
3wipE-4a4lA:
undetectable		 3wipD-4a4lA:
20.74
3wipE-4a4lA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aqt LAMININ SUBUNIT
GAMMA-1

(Mus musculus) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		4 TYR A 161
TYR A 175
TYR A 184
ARG A 253
 NAG  A3001 ( 4.1A)
None
None
None
 1.25A 3wipD-4aqtA:
undetectable
3wipE-4aqtA:
undetectable		 3wipD-4aqtA:
20.00
3wipE-4aqtA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aw5 EPHRIN TYPE-B
RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 TYR A 297
TRP A 287
TYR A 313
TRP A 298
 None
 1.42A 3wipD-4aw5A:
undetectable
3wipE-4aw5A:
undetectable		 3wipD-4aw5A:
20.45
3wipE-4aw5A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4az3 LYSOSOMAL PROTECTIVE
PROTEIN 32 KDA CHAIN
LYSOSOMAL PROTECTIVE
PROTEIN 20 KDA CHAIN

(Homo sapiens;
Homo sapiens) 		PF00450
(Peptidase_S10)
PF00450
(Peptidase_S10) 		4 TYR A 155
TYR A 151
ARG B 347
MET B 349
 None
 1.37A 3wipD-4az3A:
undetectable
3wipE-4az3A:
undetectable		 3wipD-4az3A:
19.18
3wipE-4az3A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c95 DNA POLYMERASE
ALPHA-BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF12341
(Mcl1_mid) 		4 TRP A 763
THR A 484
TYR A 677
ARG A 492
 None
 1.28A 3wipD-4c95A:
undetectable
3wipE-4c95A:
undetectable		 3wipD-4c95A:
17.82
3wipE-4c95A:
17.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hqp ALPHA7 NICOTINIC
RECEPTOR CHIMERA

(Lymnaea
stagnalis;
Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 TYR A  91
TRP A 145
THR A 146
TYR A 191
 None
 0.60A 3wipD-4hqpA:
26.9
3wipE-4hqpA:
26.8		 3wipD-4hqpA:
57.52
3wipE-4hqpA:
57.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ix8 TYROSINE
AMINOTRANSFERASE

(Leishmania
infantum) 		PF00155
(Aminotran_1_2) 		4 TYR A 125
TRP A 126
TYR A 287
TRP A 297
 None
 1.42A 3wipD-4ix8A:
undetectable
3wipE-4ix8A:
undetectable		 3wipD-4ix8A:
19.55
3wipE-4ix8A:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4log MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN
AND NR2E3 PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		4 TYR A 157
TRP A 342
ARG A  68
MET A 338
 None
 1.35A 3wipD-4logA:
undetectable
3wipE-4logA:
undetectable		 3wipD-4logA:
16.73
3wipE-4logA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		4 TYR A 155
TYR A 151
ARG A 347
MET A 349
 TYR  A 155 ( 1.3A)
TYR  A 151 ( 1.3A)
ARG  A 347 ( 0.6A)
MET  A 349 ( 0.0A)
 1.48A 3wipD-4mwtA:
undetectable
3wipE-4mwtA:
undetectable		 3wipD-4mwtA:
18.71
3wipE-4mwtA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 TYR A1013
THR A 953
TYR A 955
ARG A 952
 None
 1.21A 3wipD-4oliA:
undetectable
3wipE-4oliA:
undetectable		 3wipD-4oliA:
16.43
3wipE-4oliA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 TYR A 467
TRP A 375
THR A 374
TRP A 445
 None
 1.28A 3wipD-4r1dA:
undetectable
3wipE-4r1dA:
undetectable		 3wipD-4r1dA:
18.94
3wipE-4r1dA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		4 TYR A 142
THR A 138
TYR A 134
ARG A 209
 None
 1.50A 3wipD-4tmcA:
undetectable
3wipE-4tmcA:
undetectable		 3wipD-4tmcA:
21.29
3wipE-4tmcA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		4 TYR A 362
THR A 416
TYR A 341
TYR A 364
 None
None
BOG  A 903 (-4.1A)
None
 1.23A 3wipD-4zgvA:
undetectable
3wipE-4zgvA:
undetectable		 3wipD-4zgvA:
14.07
3wipE-4zgvA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aca VP1
VP2

(Foot-and-mouth
disease virus;
Foot-and-mouth
disease virus) 		PF00073
(Rhv)
PF00073
(Rhv) 		4 TYR 2  36
TYR 2 143
TRP 2 177
ARG 1 129
 None
 1.24A 3wipD-5aca2:
undetectable
3wipE-5aca2:
undetectable		 3wipD-5aca2:
18.29
3wipE-5aca2:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9u GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
gordonii) 		PF00534
(Glycos_transf_1) 		4 TYR A 147
TYR A 141
TRP A  64
MET A  42
 None
 1.42A 3wipD-5e9uA:
undetectable
3wipE-5e9uA:
undetectable		 3wipD-5e9uA:
17.53
3wipE-5e9uA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f06 GLUTATHIONE
S-TRANSFERASE FAMILY
PROTEIN

(Populus
trichocarpa) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 TYR A 148
THR A 101
TYR A 108
TRP A 195
 None
 1.35A 3wipD-5f06A:
undetectable
3wipE-5f06A:
undetectable		 3wipD-5f06A:
19.09
3wipE-5f06A:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		5 TYR A 122
TRP A 178
THR A 179
TYR A 219
TYR A 226
 EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.3A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
 0.65A 3wipD-5fjvA:
22.9
3wipE-5fjvA:
22.8		 3wipD-5fjvA:
27.35
3wipE-5fjvA:
27.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h5z MHC CLASS I ANTIGEN

(Ctenopharyngodon
idella) 		no annotation 4 TYR A 113
TRP A 144
TYR A 111
TRP A 130
 None
 1.50A 3wipD-5h5zA:
undetectable
3wipE-5h5zA:
undetectable		 3wipD-5h5zA:
undetectable
3wipE-5h5zA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j5u RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12771
(SusD-like_2) 		4 TYR A 471
THR A 137
TYR A 161
TRP A  94
 None
 1.43A 3wipD-5j5uA:
undetectable
3wipE-5j5uA:
undetectable		 3wipD-5j5uA:
17.32
3wipE-5j5uA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jph ACETYLTRANSFERASE
SACOL1063

(Staphylococcus
aureus) 		PF13673
(Acetyltransf_10) 		4 TYR A  47
THR A  55
ARG A  18
MET A  74
 None
CL  A 203 (-3.8A)
CL  A 203 (-4.0A)
None
 1.42A 3wipD-5jphA:
undetectable
3wipE-5jphA:
undetectable		 3wipD-5jphA:
19.56
3wipE-5jphA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.74A 3wipD-5kxiA:
23.5
3wipE-5kxiA:
23.1		 3wipD-5kxiA:
20.93
3wipE-5kxiA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 THR B 300
TYR B 135
TYR B 303
ARG B 266
 None
 1.45A 3wipD-5ldrB:
undetectable
3wipE-5ldrB:
undetectable		 3wipD-5ldrB:
15.17
3wipE-5ldrB:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nx2 GLUCAGON-LIKE
PEPTIDE 1 RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2)
PF02793
(HRM) 		4 TYR A  88
TRP A 214
TYR A  69
ARG A 215
 None
 1.35A 3wipD-5nx2A:
undetectable
3wipE-5nx2A:
undetectable		 3wipD-5nx2A:
19.46
3wipE-5nx2A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 TYR D 587
THR D 667
TRP D 723
MET D 672
 None
 1.27A 3wipD-5uheD:
undetectable
3wipE-5uheD:
undetectable		 3wipD-5uheD:
9.95
3wipE-5uheD:
9.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zzn


(;
) 		no annotation
no annotation 		4 THR V  63
TYR U  42
TYR V  82
ARG U  39
 None
None
HEM  V 201 (-4.6A)
None
 1.27A 3wipD-5zznV:
undetectable
3wipE-5zznV:
undetectable		 3wipD-5zznV:
undetectable
3wipE-5zznV:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cvz E3 UBIQUITIN-PROTEIN
LIGASE RFWD3

(Homo sapiens) 		no annotation 4 TYR A 593
TYR A 556
TYR A 554
ARG A 570
 None
 1.40A 3wipD-6cvzA:
undetectable
3wipE-6cvzA:
undetectable		 3wipD-6cvzA:
undetectable
3wipE-6cvzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 4 THR A 155
TYR A  60
TYR A  55
ARG A  98
 None
 1.39A 3wipD-6dd3A:
undetectable
3wipE-6dd3A:
undetectable		 3wipD-6dd3A:
undetectable
3wipE-6dd3A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 4 THR A 155
TYR A  65
TYR A  55
ARG A  98
 None
 1.26A 3wipD-6dd3A:
undetectable
3wipE-6dd3A:
undetectable		 3wipD-6dd3A:
undetectable
3wipE-6dd3A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dk2 -

(-) 		no annotation 4 TYR A 527
THR A 137
TYR A 161
TRP A  94
 None
None
None
EDO  A 610 (-4.3A)
 1.38A 3wipD-6dk2A:
undetectable
3wipE-6dk2A:
undetectable		 3wipD-6dk2A:
undetectable
3wipE-6dk2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fm9 UDP-N-ACETYLGLUCOSAM
INE--DOLICHYL-PHOSPH
ATE
N-ACETYLGLUCOSAMINEP
HOSPHOTRANSFERASE

(Homo sapiens) 		no annotation 4 THR A 362
TYR A 288
ARG A 303
MET A 316
 None
 1.20A 3wipD-6fm9A:
undetectable
3wipE-6fm9A:
undetectable		 3wipD-6fm9A:
undetectable
3wipE-6fm9A:
undetectable